Sodium ion → HCID 22730439, compound
Reaction equation
[Br:1][c:2]1[s:3][c:4]2[c:5]([c:6]1[CH3:7])[cH:8][c:9]([Cl:12])[cH:10][cH:11]2.[CH2:13]1[CH2:14][O:15][CH2:16][CH2:17][NH:18]1.[CH3:65][C:66]([CH3:67])([O-:68])[CH3:69].[CH3:71][c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1.[Na+:70].[O:116]=[C:117]([CH:118]=[CH:119][c:120]1[cH:121][cH:122][cH:123][cH:124][cH:125]1)[CH:126]=[CH:127][c:128]1[cH:129][cH:130][cH:131][cH:132][cH:133]1.[O:80]=[C:81]([CH:82]=[CH:83][c:84]1[cH:85][cH:86][cH:87][cH:88][cH:89]1)[CH:90]=[CH:91][c:92]1[cH:93][cH:94][cH:95][cH:96][cH:97]1.[O:98]=[C:99]([CH:100]=[CH:101][c:102]1[cH:103][cH:104][cH:105][cH:106][cH:107]1)[CH:108]=[CH:109][c:110]1[cH:111][cH:112][cH:113][cH:114][cH:115]1.[Pd:78].[Pd:79].[cH:19]1[cH:20][cH:21][c:22]([P:23]([c:24]2[cH:25][cH:26][c:27]3[c:28]([cH:29][cH:30][cH:31][cH:32]3)[c:33]2-[c:34]2[c:35]3[c:36]([cH:37][cH:38][cH:39][cH:40]3)[cH:41][cH:42][c:43]2[P:44]([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[cH:63][cH:64]1>>[c:2]1([N:18]2[CH2:13][CH2:14][O:15][CH2:16][CH2:17]2)[s:3][c:4]2[c:5]([c:6]1[CH3:7])[cH:8][c:9]([Cl:12])[cH:10][cH:11]2Participants
9
Sources & evidence
- ORD record
- ord-96ef3c50cf374516a4275f69a6c26dfa
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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